| Sonrisas canónicas | COC1=C(C=CC2=C1C(=NN2)N)F |
|---|---|
| IUPAC Name | 5-fluoro-4-methoxy-1H-indazol-3-amine |
| InChIKey | LNSXSZVFDHGGAG-UHFFFAOYSA-N |
| INCHI | 1S/C8H8FN3O/c1-13-7-4(9)2-3-5-6(7)8(10)12-11-5/h2-3H,1H3,(H3,10,11,12) |
| Isómeros SMILES | COC1=C(C=CC2=C1C(=NN2)N)F |
| PubChem CID | 58054568 |
| Peso molecular | 181.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzopyrazoles |
| Subclass | Indazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indazoles |
| Alternative Parents | Anisoles Alkyl aryl ethers Imidolactams Aryl fluorides Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzopyrazole - Indazole - Anisole - Phenol ether - Alkyl aryl ether - Aryl fluoride - Aryl halide - Imidolactam - Benzenoid - Heteroaromatic compound - Azole - Pyrazole - Ether - Azacycle - Organofluoride - Organohalogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene. |
| External Descriptors | Not available |
| Peso molecular | 181.170 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 181.065 Da |
| Monoisotopic Mass | 181.065 Da |
| Topological Polar Surface Area | 63.900 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 192.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
